16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide

C22H18N2O5 — CID 44563643

IUPAC16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide
SMILESCNC(=O)c1cc2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c12)OCO4
InChIInChI=1S/C22H18N2O5/c1-23-22(25)14-4-11-5-17(26-2)18(27-3)6-12(11)15-9-24-16-8-20-19(28-10-29-20)7-13(16)21(14)15/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyAEGXWAMXLFRXDC-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.65
Rot. Bonds3

About 16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide

16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide (PubChem CID 44563643) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide.

Molecular Properties

Compound Name16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide
PubChem CID44563643
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide
SMILESCNC(=O)c1cc2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c12)OCO4
InChIInChI=1S/C22H18N2O5/c1-23-22(25)14-4-11-5-17(26-2)18(27-3)6-12(11)15-9-24-16-8-20-19(28-10-29-20)7-13(16)21(14)15/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyAEGXWAMXLFRXDC-UHFFFAOYSA-N
XLogP3.65
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide?
The IUPAC name of 16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide (CID 44563643) is 16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide.
What is the SMILES notation for 16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide?
The canonical SMILES for 16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide is CNC(=O)c1cc2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c12)OCO4.
What is the InChIKey of 16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide?
The InChIKey is AEGXWAMXLFRXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-23-22(25)14-4-11-5-17(26-2)18(27-3)6-12(11)15-9-24-16-8-20-19(28-10-29-20)7-13(16)21(14)15/h4-9H,10H2,1-3H3,(H,23,25).
What are the key properties of 16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide?
16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16,17-dimethoxy-N-methyl-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-21-carboxamide is sourced from PubChem (CID 44563643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).